SCHEMBL2558112

SCHEMBL2558112

CCC(C)(Oc1ccc(C=O)cc1Cl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
TTR P02766 1/20 0.41
ALDH1A1 P00352 9/20 0.41
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.38
AOX1 Q06278 1/20 0.38
TACR2 P21452 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2558926 0.90 FBP1 (0.42) FBP1TTRALDH1A1ALDH3A1ALDH1A3
SCHEMBL2555878 0.87 POLB (0.40) FBP1TTRALDH1A1POLBCYP2C19
SCHEMBL2559614 0.86 ALDH1A1 (0.39) FBP1TTRALDH1A1ALDH3A1ALDH1A3
SCHEMBL2558607 0.85 FBP1 (0.42) FBP1TTRALDH1A1ALDH3A1ALDH1A3
SCHEMBL2557997 0.85 LMNA (0.39) FBP1TTRALDH1A1POLBCYP2C19
SCHEMBL2560262 0.83 FBP1 (0.47) FBP1TTRALDH1A1POLBCYP2C19
SCHEMBL30490487 0.83 TDP1 (0.50) TTRALDH1A1CYP2C19TSHRL3MBTL1
SCHEMBL4682766 0.77 FBP1 (0.69) FBP1TTRALDH1A1TACR2TSHR
SCHEMBL15331329 0.77 ALDH1A1 (0.44) FBP1TTRALDH1A1ALDH3A1ALDH1A3
SCHEMBL2558556 0.77 ADORA3 (0.56) ALDH1A1ALDH1A3CYP2C19ADORA3CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed